Geometry & MOs

Info

ID:	250134
PubChem CID:	103094374
Reduced:	ClSO2N3H12C14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	257.038961
ΔH_f, kcal/mol:	-8.74
Dipole, Da:	2.23
IP(EA), eV:	-8.69(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-(3-chloropyridin-2-yl)-2,2-dimethyl-3-sulfanylidenepropanamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=S)N)OCC(=O)NC2=C(C=CC=N2)Cl

DOS

IR

Vibrations